SCHEMBL1815243

SCHEMBL1815243

Nc1ccc(N2CCN(C3CCCC3O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 10/20 0.67
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 4/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1045480 0.80 L3MBTL1 (0.58) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL6260141 0.78 MAPT (0.58) SLC18A3MAPTALDH1A1KDM4EGAA
SCHEMBL1817109 0.78 SLC18A3 (0.64) SLC18A3MAPTALDH1A1HTTKMT2A
SCHEMBL3970358 0.76 SLC18A3 (0.70) SLC18A3ALDH1A1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL5743020 0.76 L3MBTL1 (0.58) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL1047477 0.75 MAPT (0.57) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL1044237 0.75 MAPT (0.58) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL23347931 0.74 MAPT (0.77) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL7043679 0.74 MAPT (0.77) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL6151120 0.74 MAPT (0.77) MAPTALDH1A1KDM4EGAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SLC18A3 4872/4885MAPT 4041/4885ALDH1A1 755/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 SLC18A3 4872/4885MAPT 4041/4885ALDH1A1 755/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 SLC18A3 4872/4885MAPT 4041/4885ALDH1A1 755/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SLC18A3 4872/4885MAPT 4041/4885ALDH1A1 755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.